About dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate
dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate (PubChem CID 139163298) has the molecular formula C23H30Ag2F3Li2N3O9P2S
and a molecular weight of 873.13 g/mol. Its IUPAC name is dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate.
Molecular Properties
| Compound Name | dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate |
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| PubChem CID | 139163298 |
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| Molecular Formula | C23H30Ag2F3Li2N3O9P2S |
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| Molecular Weight | 873.13 g/mol |
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| Exact Mass | 870.96 |
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| IUPAC Name | dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate |
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| SMILES | CCOP([O-])OCC.CCOP([O-])OCC.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Li+].[Li+].c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1 |
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| InChI | InChI=1S/C14H10N3.2C4H10O3P.CHF3O3S.2Ag.2Li/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;2*1-3-6-8(5)7-4-2;2-1(3,4)8(5,6)7;;;;/h1-10H;2*3-4H2,1-2H3;(H,5,6,7);;;;/q3*-1;;4*+1/p-1 |
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| InChIKey | BOPRSTATJZQHMJ-UHFFFAOYSA-M |
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| XLogP | -1.88 |
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| TPSA | 180.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 45 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 873.13 |
| LogP ≤ 5 | -1.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate?
The IUPAC name of dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate (CID 139163298) is dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate.
What is the SMILES notation for dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate?
The canonical SMILES for dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate is CCOP([O-])OCC.CCOP([O-])OCC.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].[Li+].[Li+].c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.
What is the InChIKey of dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate?
The InChIKey is BOPRSTATJZQHMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N3.2C4H10O3P.CHF3O3S.2Ag.2Li/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;2*1-3-6-8(5)7-4-2;2-1(3,4)8(5,6)7;;;;/h1-10H;2*3-4H2,1-2H3;(H,5,6,7);;;;/q3*-1;;4*+1/p-1.
What are the key properties of dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate?
dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate has a molecular weight of 873.13 g/mol, XLogP of -1.88, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate is sourced from PubChem (CID 139163298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).